Journal article


Evidence for interchange ligand-exchange processes on solvated beryllium cations


Publication Details
Author(s): Puchta R, van Eikema Hommes N, van Eldik R
Publisher: Wiley-Blackwell
Publication year: 2005
Volume: 88
Journal issue: 5
Pages range: 911-922
ISSN: 0018-019X

Abstract

The ligand-exchange mechanism of solvated Be2+ cations has been studied by means of DFT calculations (RB3LYP/6-311 + G**). Ligand exchange around [BeL4](2+), where L = H2O, NH3, CO2, formaldehyde (H2CO), HCN, N-2, and CO, was found to follow an associative interchange (I.) process in all cases. The size of the activation barrier is almost independent of the type of donor atom, and depends mainly on the hybridization undergone by the donor atom. This, in turn, suggests that steric effects play a major role in solvent- and ligand-exchange reactions in Be2+ systems.



How to cite
APA: Puchta, R., van Eikema Hommes, N., & van Eldik, R. (2005). Evidence for interchange ligand-exchange processes on solvated beryllium cations. Helvetica Chimica Acta, 88(5), 911-922. https://dx.doi.org/10.1002/hlca.200590085

MLA: Puchta, Ralph, Nico van Eikema Hommes, and Rudi van Eldik. "Evidence for interchange ligand-exchange processes on solvated beryllium cations." Helvetica Chimica Acta 88.5 (2005): 911-922.

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